# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level ADS ADS 'ADENOSINE-5'-(DITHIO)PHOSPHATE ' non-polymer 37 23 M # data_comp_ADS # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge ADS P P . 0.000 ADS O1P O . 0.000 ADS S2P S . 0.000 ADS S3P S . 0.000 ADS O5* O . 0.000 ADS C5* C . 0.000 ADS C4* C . 0.000 ADS O4* O . 0.000 ADS C3* C . 0.000 ADS O3* O . 0.000 ADS C2* C . 0.000 ADS O2* O . 0.000 ADS C1* C . 0.000 ADS N9 N . 0.000 ADS C8 C . 0.000 ADS N7 N . 0.000 ADS C5 C . 0.000 ADS C6 C . 0.000 ADS N6 N . 0.000 ADS N1 N . 0.000 ADS C2 C . 0.000 ADS N3 N . 0.000 ADS C4 C . 0.000 ADS HSP2 H . 0.000 ADS HSP3 H . 0.000 ADS H5*1 H . 0.000 ADS H5*2 H . 0.000 ADS H4* H . 0.000 ADS H3* H . 0.000 ADS HO3* H . 0.000 ADS H2* H . 0.000 ADS HO2* H . 0.000 ADS H1* H . 0.000 ADS H8 H . 0.000 ADS H2 H . 0.000 ADS HN61 H . 0.000 ADS HN62 H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type ADS P O1P double ADS P S2P single ADS P S3P single ADS P O5* single ADS S2P HSP2 single ADS S3P HSP3 single ADS O5* C5* single ADS C5* C4* single ADS C5* H5*1 single ADS C5* H5*2 single ADS C4* O4* single ADS C4* C3* single ADS C4* H4* single ADS O4* C1* single ADS C3* O3* single ADS C3* C2* single ADS C3* H3* single ADS O3* HO3* single ADS C2* O2* single ADS C2* C1* single ADS C2* H2* single ADS O2* HO2* single ADS C1* N9 single ADS C1* H1* single ADS N9 C8 single ADS N9 C4 single ADS C8 N7 double ADS C8 H8 single ADS N7 C5 single ADS C5 C6 single ADS C5 C4 double ADS C6 N6 single ADS C6 N1 double ADS N6 HN61 single ADS N6 HN62 single ADS N1 C2 single ADS C2 N3 double ADS C2 H2 single ADS N3 C4 single